Chemical ID: 7086282

COCCCNCc1cccc(c1)Cl
Chemical ID:
7086282
Name [?]:
N-[(3-chlorophenyl)methyl]-3-methoxy-propan-1-amine
SMILES [?]:
COCCCNCc1cccc(c1)Cl
InChi [?]:
InChI=1/C11H16ClNO/c1-14-7-3-6-13-9-10-4-2-5-11(12)8-10/h2,4-5,8,13H,3,6-7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,4,9,11,5,3,13,7,8,12,14,6,2/rA:14nCOCCCNCCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16ClNO
All Atoms:30
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.88045
Area:425.497
Solvation:-2.75698
Coulombic:-18.1781
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:213.704
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.32
LogP (Chemaxon):1.98

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue